SCHEMBL10245093

SCHEMBL10245093

Cc1ccc(N(C)C(=O)N2CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTT P42858 1/20 0.53
MLYCD O95822 1/20 0.45
PDK2 Q15119 4/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.39
FAAH O00519 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15134846 0.83 KMT2A (0.65) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL25668717 0.82 GAA (0.64) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL25668719 0.81 GAA (0.62) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10282565 0.79 KMT2A (0.60) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL654531 0.78 GAA (0.59) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8913899 0.73 FAAH (0.63) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8258805 0.73 MAPT (0.50) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL10246301 0.71 CYP1A2 (0.63) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL10245207 0.71 NPC1 (0.67) GAAKMT2AALDH1A1KDM4EMAPT
SCHEMBL24308898 0.70 PANK3 (0.39) KMT2AMEN1ALDH1A1PKMHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 GAA 3524/4885KMT2A 3592/4885MEN1 2449/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 GAA 3524/4885KMT2A 3592/4885MEN1 2449/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 GAA 3744/4885KMT2A 4258/4885MEN1 2650/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 GAA 2385/4885KMT2A 1693/4885MEN1 531/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 GAA 3626/4885KMT2A 3465/4885MEN1 2263/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.